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DocumentationIdentifier: MM435733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM435733 |
| SMILES |
C#CC(C)C1CN1CC#N
|
| InChIKey |
UOYBSIHVJCUYEZ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM426589
Similarity: 0.7903
Similarity to MM426589
| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8829 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435804
Similarity: 0.7668
Similarity to MM435804
| Tanimoto metric | 0.7668 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.868 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM196042
Similarity: 0.6989
Similarity to MM196042
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8227 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
